Accuracy

pocl3r   1799 Phosphorus oxychloride (Geo)

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    #  Species Formula
  1789 1,1,1-TrichloroethaneC2H3Cl3
  1790 1,2,2-TrichloroethaneC2H3Cl3
  1791 1,2,3-TrichlorobenzeneC6H3Cl3
  1792 1,2,4-TrichlorobenzeneC6H3Cl3
  1793 1,3,5-TrichlorobenzeneC6H3Cl3
  1794 TrichloroacetaldehydeHC2OCl3
  1795 Trichlorofluoromethane (Geo)CFCl3
  1796 FluorotrichloromethaneCFCl3
  1797 1,1',2-Trichloro-1,2,2'-trifluoroethaneC2F3Cl3
  1798 Phosphorus oxychlorideOPCl3
  1799 Phosphorus oxychloride (Geo) OPCl3
  1800 SOCl3OSCl3
  1801 Carbon tetrachlorideCCl4
  1802 Carbon tetrachloride (Geo)CCl4
  1803 Tetrachloroethylene (Geo)C2Cl4
  1804 TetrachloroethyleneC2Cl4
  1805 1,1,2,2-TetrachloroethaneC2H2Cl4
  1806 1,2,2,2-TetrachloroethaneC2H2Cl4
  1807 1,2,3,4-TetrachlorobenzeneC6H2Cl4
  1808 1,2,3,5-TetrachlorobenzeneC6H2Cl4
  1809 1,2,4,5-TetrachlorobenzeneC6H2Cl4


REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 SYMMETRY
Phosphorus oxychloride
 <P=O> <P-Cl><O=P-Cl> GR=WHSMC03
 
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  P     1.44500000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.98800000 +1  114.9000000 +1    0.0000000 +0     2     1     0
 Cl     1.98800000 +1  114.9000000 +1  120.0000000 +1     2     1     3
 Cl     1.98800000 +1  114.9000000 +1 -120.0000000 +1     2     1     3
 
   3  1    4    5
   3  2    4    5